N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine

C16H16F2IN — CID 43779230

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccc(I)cc1
InChIInChI=1S/C16H16F2IN/c1-10(12-3-6-14(19)7-4-12)20-11(2)15-9-13(17)5-8-16(15)18/h3-11,20H,1-2H3
InChIKeyKDMHZJCPEABEOV-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.98
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine

N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine (PubChem CID 43779230) has the molecular formula C16H16F2IN and a molecular weight of 387.21 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
PubChem CID43779230
Molecular FormulaC16H16F2IN
Molecular Weight387.21 g/mol
Exact Mass387.03
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccc(I)cc1
InChIInChI=1S/C16H16F2IN/c1-10(12-3-6-14(19)7-4-12)20-11(2)15-9-13(17)5-8-16(15)18/h3-11,20H,1-2H3
InChIKeyKDMHZJCPEABEOV-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 82888806
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43673266
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine (CID 43779230) is N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine is CC(NC(C)c1cc(F)ccc1F)c1ccc(I)cc1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine?
The InChIKey is KDMHZJCPEABEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2IN/c1-10(12-3-6-14(19)7-4-12)20-11(2)15-9-13(17)5-8-16(15)18/h3-11,20H,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine?
N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine has a molecular weight of 387.21 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 43779230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).